1-(1,3-benzodioxol-5-yl)-N-[3-(4-fluorophenyl)sulfanylpropyl]-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-[3-(4-fluorophenyl)sulfanylpropyl]-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-[3-(4-fluorophenyl)sulfanylpropyl]-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-yl)-N-[3-[(4-fluorophenyl)thio]propyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[3-(4-fluorophenyl)sulfanylpropyl]-5-oxopyrrolidine-3-carboxamide Traditional Name: 1-(1,3-benzodioxol-5-yl)-N-[3-[(4-fluorophenyl)thio]propyl]-5-keto-pyrrolidine-3-carboxamide Formula: C21H21FN2O4S MolecularWeight: 416.465843

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)C2=CC3=C(C=C2)OCO3)C(=O)NCCCSC4=CC=C(C=C4)F

Isomeric SMILES

C1C(CN(C1=O)C2=CC3=C(C=C2)OCO3)C(=O)NCCCSC4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN2O4S/c22-15-2-5-17(6-3-15)29-9-1-8-23-21(26)14-10-20(25)24(12-14)16-4-7-18-19(11-16)28-13-27-18/h2-7,11,14H,1,8-10,12-13H2,(H,23,26)